Task 38635151

Name BACE_A29_A10_r0_3-QUICO_ATM_OpenFF23_NAGL_BACE-0-6-RND6771_0
Workunit 31583626
Created 28 Apr 2026, 12:52:23 UTC
Sent 28 Apr 2026, 13:01:52 UTC
Report deadline 3 May 2026, 13:01:52 UTC
Received 1 May 2026, 13:50:55 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609939
Run time 5 min 4 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,878.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 47.84 MB
Peak swap size 36.89 MB
Peak disk usage 2.78 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:28:16 (4912): wrapper (7.9.26016): starting
13:28:16 (4912): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A10_0.pdb
QB_A29_A10_0.xml
QB_A29_A10.inpcrd
QB_A29_A10_input.yaml
QB_A29_A10.pdb
QB_A29_A10.prmtop
QB_A29_A10_sys.xml
run.bat
run.sh
13:28:19 (4912): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:28:19 (4912): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002B19BF1B5D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002B19BF24850>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002B19BF25090>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002B19BF25790>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002B19BF26190>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000011F9E7A0590>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000011F9E7A24D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000011F9E7A2DD0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000011F9E7A3950>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000011F9E7B4590>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
13:29:08 (4912): C:/Windows/system32/cmd.exe exited; CPU time 2.578125
13:29:08 (4912): app exit status: 0x16
13:29:08 (4912): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 400889 bytes.
Dumping objects ->
{3835168} normal block at 0x000001CA22E203A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001CA22E20330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001CA22E202C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x000001CA22E201E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x000001CA22E20170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x000001CA249616A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835080} normal block at 0x000001CA22E15F30, 8 bytes long.
 Data: <  &#223;"&#202;   > 00 00 DF 22 CA 01 00 00 
{3833939} normal block at 0x000001CA22E163E0, 8 bytes long.
 Data: <  &#156;$&#202;   > 20 04 9C 24 CA 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001CA22E1F280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CA22E04B10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001CA22E20FC0, 16 bytes long.
 Data: <  &#226;"&#202;           > 88 1F E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CA22E215B0, 16 bytes long.
 Data: <` &#226;"&#202;           > 60 1F E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CA22E1BB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001CA22E21BF0, 16 bytes long.
 Data: <8 &#226;"&#202;           > 38 1F E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CA22E210B0, 16 bytes long.
 Data: <  &#226;"&#202;           > 10 1F E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CA22E20CA0, 16 bytes long.
 Data: <&#232; &#226;"&#202;           > E8 1E E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CA22E21510, 16 bytes long.
 Data: <&#192; &#226;"&#202;           > C0 1E E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CA22E20560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001CA22E20D90, 16 bytes long.
 Data: <&#168;J&#224;"&#202;           > A8 4A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CA22E1C170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001CA22E21420, 16 bytes long.
 Data: < J&#224;"&#202;           > 80 4A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CA22E21B00, 16 bytes long.
 Data: <XJ&#224;"&#202;           > 58 4A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CA22E21470, 16 bytes long.
 Data: <0J&#224;"&#202;           > 30 4A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CA22E21BA0, 16 bytes long.
 Data: < J&#224;"&#202;           > 08 4A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CA22E213D0, 16 bytes long.
 Data: <&#224;I&#224;"&#202;           > E0 49 E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CA22E20ED0, 16 bytes long.
 Data: <&#184;I&#224;"&#202;           > B8 49 E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CA22E1C110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001CA22E20F20, 16 bytes long.
 Data: < I&#224;"&#202;           > 90 49 E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CA22E04990, 320 bytes long.
 Data: <  &#226;"&#202;    &#193;&#225;"&#202;   > 20 0F E2 22 CA 01 00 00 10 C1 E1 22 CA 01 00 00 
{265} normal block at 0x000001CA22E21970, 16 bytes long.
 Data: <&#160; &#226;"&#202;           > A0 1E E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CA22E21880, 16 bytes long.
 Data: <x &#226;"&#202;           > 78 1E E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CA22E1BB10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001CA22E21830, 16 bytes long.
 Data: <P &#226;"&#202;           > 50 1E E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CA22E1BC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001CA22E20F70, 16 bytes long.
 Data: <  &#226;"&#202;           > 98 1D E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CA22E20E80, 16 bytes long.
 Data: <p &#226;"&#202;           > 70 1D E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CA22E219C0, 16 bytes long.
 Data: <H &#226;"&#202;           > 48 1D E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CA22E21600, 16 bytes long.
 Data: <  &#226;"&#202;           > 20 1D E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CA22E21560, 16 bytes long.
 Data: <&#248; &#226;"&#202;           > F8 1C E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CA22E21010, 16 bytes long.
 Data: <&#208; &#226;"&#202;           > D0 1C E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CA22E212E0, 16 bytes long.
 Data: <@ &#226;"&#202;           > 40 06 E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CA22E20640, 40 bytes long.
 Data: <&#224; &#226;"&#202;   &#160; &#150;$&#202;   > E0 12 E2 22 CA 01 00 00 A0 16 96 24 CA 01 00 00 
{251} normal block at 0x000001CA22E216F0, 16 bytes long.
 Data: <&#176; &#226;"&#202;           > B0 1C E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CA22E21060, 16 bytes long.
 Data: <  &#226;"&#202;           > 88 1C E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001CA22E1C650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001CA22E20D40, 16 bytes long.
 Data: <` &#226;"&#202;           > 60 1C E2 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001CA22E21C60, 992 bytes long.
 Data: <@ &#226;"&#202;   P&#198;&#225;"&#202;   > 40 0D E2 22 CA 01 00 00 50 C6 E1 22 CA 01 00 00 
{83} normal block at 0x000001CA22E1C410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001CA22E16750, 16 bytes long.
 Data: < Z&#224;"&#202;           > 00 5A E0 22 CA 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001CA22E05A00, 40 bytes long.
 Data: <Pg&#225;"&#202;    &#196;&#225;"&#202;   > 50 67 E1 22 CA 01 00 00 10 C4 E1 22 CA 01 00 00 
{60} normal block at 0x000001CA22E15A30, 16 bytes long.
 Data: < &#234;&#248;&#224;&#247;           > 80 EA F8 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CA22E165C0, 16 bytes long.
 Data: <@&#233;&#248;&#224;&#247;           > 40 E9 F8 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CA22E161B0, 16 bytes long.
 Data: <&#248;W&#245;&#224;&#247;           > F8 57 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CA22E16110, 16 bytes long.
 Data: <&#216;W&#245;&#224;&#247;           > D8 57 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CA22E15BC0, 16 bytes long.
 Data: <P &#245;&#224;&#247;           > 50 04 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CA22E160C0, 16 bytes long.
 Data: <0 &#245;&#224;&#247;           > 30 04 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CA22E15E90, 16 bytes long.
 Data: <&#224; &#245;&#224;&#247;           > E0 02 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001CA22E164D0, 16 bytes long.
 Data: <  &#245;&#224;&#247;           > 10 04 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001CA22E16340, 16 bytes long.
 Data: <p &#245;&#224;&#247;           > 70 04 F5 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001CA22E15C10, 16 bytes long.
 Data: < &#192;&#243;&#224;&#247;           > 18 C0 F3 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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